bio-datasets
Processing and convering PubChem Compoud Dataset can be found in datasets/pubchem. The process_data.py script downloads the SDF
file, converts the canonical SMILES representation to SELFIES, and saves it in a jsonl file.
| Name | Name | Last commit date | ||
|---|---|---|---|---|
bio-datasets
Processing and convering PubChem Compoud Dataset can be found in datasets/pubchem. The process_data.py script downloads the SDF
file, converts the canonical SMILES representation to SELFIES, and saves it in a jsonl file.